2-[4-[1,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphophenyl)-4H-Pyrazol-4-Ylidene]But-2-Enylidene]-3-Ethyl-2,3-Dihydrobenzoxazole-5-Sulphonic Acid
[CAS# 72269-63-7]

Identification

• Name: 2-[4-[1,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphophenyl)-4H-Pyrazol-4-Ylidene]But-2-Enylidene]-3-Ethyl-2,3-Dihydrobenzoxazole-5-Sulphonic Acid
• Synonyms: (2E)-3-Ethyl-2-[(E,4Z)-4-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)-4-Pyrazolylidene]But-2-Enylidene]-1,3-Benzoxazole-5-Sulfonic Acid; (2E)-3-Ethyl-2-[(E,4Z)-4-[5-Keto-3-Methyl-1-(4-Sulfophenyl)Pyrazol-4-Ylidene]But-2-Enylidene]-1,3-Benzoxazole-5-Sulfonic Acid; 2-(4-(1,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphophenyl)-4H-Pyrazol-4-Ylidene)But-2-Enylidene)-3-Ethyl-2,3-Dihydrobenzoxazole-5-Sulphonicacid
• Molecular Formula: C₂₃H₂₁N₃O₈S₂
• Molecular Weight: 531.55
• CAS Registry Number: 72269-63-7
• EINECS: 276-557-0
• SMILES: C2=C1N(C(/OC1=CC=C2[S](=O)(=O)O)=C\C=C\C=C3\C(=NN(C3=O)C4=CC=C(C=C4)[S](=O)(=O)O)C)CC
• InChI: 1S/C23H21N3O8S2/c1-3-25-20-14-18(36(31,32)33)12-13-21(20)34-22(25)7-5-4-6-19-15(2)24-26(23(19)27)16-8-10-17(11-9-16)35(28,29)30/h4-14H,3H2,1-2H3,(H,28,29,30)(H,31,32,33)/b5-4+,19-6-,22-7+
• InChIKey: WSJGSBXLYGLAKX-NFTBKWPJSA-N

Properties

• Density: 1.511g/cm³ (Cal.)